SCHEMBL31270205

SCHEMBL31270205

Cc1ccc(OC2CC3CN(C(=O)OC(C)(C)C)CC32)cc1CN

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.40
LIPE Q05469 2/20 0.38
JAK3 P52333 1/20 0.38
AXL P30530 1/20 0.37
MERTK Q12866 1/20 0.37
JAK1 P23458 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
KDM4E B2RXH2 1/20 0.35
JAK2 O60674 1/20 0.35
SSTR4 P31391 1/20 0.35
DPP4 P27487 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
HTT P42858 1/20 0.34
BTK Q06187 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31270145 0.82 GPR119 (0.42) NR1H2LIPEKDM4EGPR119
SCHEMBL31270222 0.78 GPR119 (0.48) GPR119
SCHEMBL31270243 0.78 SLC5A1 (0.45) NR1H2AXLMERTKGPR119
SCHEMBL31269796 0.78 GPR119 (0.54) DPP4GPR119
SCHEMBL31270127 0.77 CHEK2 (0.51) GPR119
SCHEMBL31270200 0.76 GPR119 (0.45) AXLMERTKGPR119
SCHEMBL31270048 0.74 GPR119 (0.41) AXLMERTKGPR119
SCHEMBL31270177 0.73 CHEK2 (0.47) GPR119
SCHEMBL31269794 0.71 GPR119 (0.51) GPR119
SCHEMBL31270108 0.71 CHEK2 (0.53) GPR119

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240415819-A1 MACROCYCLIC COMPOUNDS AS PROTEASOME SUBUNIT BETA TYPE-5 INHIBITORS QLi5 Therapeutics AG (DE) 2024-12-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240415819-A1 MACROCYCLIC COMPOUNDS AS PROTEASOME SUBUNIT BETA TYPE-5 INHIBITORS PSMB5, PSMA5, PSMB1 NR1H2 1494/4885LIPE 2806/4885JAK3 3951/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.